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- ChemComp-5XU: (2~{S})-2-azanylpropanal -

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Basic information

EntryDatabase: PDB chemical components / ID: 5XU
NameName: (2~{S})-2-azanylpropanal / Synonyms: Ala-aldehyde

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Chemical information

Composition
Formula: C3H7NO / Number of atoms: 12 / Formula weight: 73.094 / Formal charge: 0
Others

5f5j

ALA

Type: L-peptide linking / PDB classification: ATOMP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F5J / Parent comp.: ALA
History
Create componentDec 25, 2015
Initial releaseFeb 10, 2016
Modify synonymsMar 1, 2021
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Nikkaji / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385C[CH](N)C=O
OpenEye OEToolkits 2.0.4CC(C=O)N

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SMILES CANONICAL

CACTVS 3.385C[C@H](N)C=O
OpenEye OEToolkits 2.0.4C[C@@H](C=O)N

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InChI

InChI 1.03InChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1

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InChIKey

InChI 1.03QPMCUNAXNMSGTK-VKHMYHEASA-N

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PDB entries

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PDB-8p85:
80S yeast ribosome in complex with Fluorolissoclimide

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